Crystallography Open Database

Information card for entry 4340600

Preview

Coordinates	4340600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H28 Sn2
Calculated formula	C28 H28 Sn2
SMILES	C[Sn]1(c2ccc3c4c(ccc(c24)[Sn](c2ccc4c5c(ccc1c25)CC4)(C)C)CC3)C
Title of publication	Sterically Encumbered Tin and Phosphorus peri-Substituted Acenaphthenes.
Authors of publication	Chalmers, Brian A.; Athukorala Arachchige, Kasun S.; Prentis, Joanna K. D.; Knight, Fergus R.; Kilian, Petr; Slawin, Alexandra M. Z.; Woollins, J. Derek
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	16
Pages of publication	8795 - 8808
a	7.419 ± 0.001 Å
b	8.1723 ± 0.0011 Å
c	10.6253 ± 0.0015 Å
α	108.784 ± 0.008°
β	108.004 ± 0.008°
γ	90.7 ± 0.006°
Cell volume	575.56 ± 0.14 Å³
Cell temperature	125 K
Ambient diffraction temperature	125 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.031
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.19
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179509 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/06.	4340600.cif
122902	2014-09-06	cif/ Updating files of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 Original log message: Adding full bibliography for 4340598--4340607.cif.	4340600.cif
121011	2014-08-01	cif/ Adding structures of 4340598, 4340599, 4340600, 4340601, 4340602, 4340603, 4340604, 4340605, 4340606, 4340607 via cif-deposit CGI script.	4340600.cif